ST4097063

HCID 337349

Notes Reactions

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Basic information

CAS: 13755-96-9
Standard SMILES: CC(=O)NC1=C(N)C(=O)c2ccccc2C1=O
InChIKey: IZJNNHJVNPVRHJ-UHFFFAOYSA-N
Molecular formula: C12H10N2O3
Average molar mass: 230.22 g/mol
Monoisotopic mass: 230.06914219

Names & identifiers

Preferred name: ST4097063
IUPAC: N-(3-amino-1,4-dioxonaphthalen-2-yl)acetamide

Names & synonyms

13755-96-9ST4097063DTXSID30320102RefChem:381529DTXCID70271225N-(3-amino-1,4-dioxo-1,4-dihydronaphthalen-2-yl)acetamideN-(3-amino-1,4-dioxonaphthalen-2-yl)acetamide2-Acetylamino-3-amino-1,4-naphthoquinoneNSC3550442-acetamido-3-amino-1,4-naphthoquinoneSCHEMBL7957265CHEMBL2002183

Show more names

N-acetyl-2,3-diaminonaphthoquinoneNSC650575STK663459AKOS001063929NSC-355044NSC-650575NCI60_017573ST106678

Database identifiers

CAS: 13755-96-9
PubChem CID: 337349
DTXSID: DTXSID30320102
ChEMBL: CHEMBL2002183
Nikkaji: J599.896D

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 89.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 425

Related reactions

1 records

New reaction record

HRID 566470As reactantuspto-grants-2001_01

Compound notes

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